N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C14H22N4O — CID 104618514

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC3CCC2N3)n[nH]1
InChIInChI=1S/C14H22N4O/c1-14(2,3)11-7-12(18-17-11)16-13(19)9-6-8-4-5-10(9)15-8/h7-10,15H,4-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyPCNHSKNBYIHWSZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.79
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 104618514) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID104618514
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC3CCC2N3)n[nH]1
InChIInChI=1S/C14H22N4O/c1-14(2,3)11-7-12(18-17-11)16-13(19)9-6-8-4-5-10(9)15-8/h7-10,15H,4-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyPCNHSKNBYIHWSZ-UHFFFAOYSA-N
XLogP1.79
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
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N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
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(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
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N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103814554
N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107641674
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
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CID 70475368
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
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1-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 104618514) is N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2CC3CCC2N3)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PCNHSKNBYIHWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)11-7-12(18-17-11)16-13(19)9-6-8-4-5-10(9)15-8/h7-10,15H,4-6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 104618514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).